| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 17 | Yes |
Popular Name: 2-benzyloctahydro-4h-isoindol-4-one 2-benzyloctahydro-4h-isoindol-4-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 879687-90-8 , [879687-90-8]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.42 | 8.87 | -38.83 | 1 | 2 | 1 | 22 | 230.331 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
| PUBCHEM_PATENT_ID | US5543530 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.